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CAS No.: | 5156-01-4 |
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Name: | 2-Methyl-1,4-benzenedicarboxylic acid |
Article Data: | 25 |
Molecular Structure: | |
Formula: | C9H8O4 |
Molecular Weight: | 180.16 |
Synonyms: | Terephthalicacid, methyl- (6CI,7CI,8CI);2-Methylterephthalic acid;Methylterephthalicacid;NSC 20693; |
Density: | 1.377g/cm3 |
Melting Point: | 323-325 °C |
Boiling Point: | 388.2°C at 760 mmHg |
Flash Point: | 202.8°C |
PSA: | 74.60000 |
LogP: | 1.39140 |
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The 2-Methyl-1,4-benzenedicarboxylic acid with the CAS number 5156-01-4 is also called 1,4-Benzenedicarboxylicacid, 2-methyl-. Its molecular formula is C9H8O4. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 2.46; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 52.6 Å2; (11)Index of Refraction: 1.603; (12)Molar Refractivity: 44.93 cm3; (13)Molar Volume: 130.7 cm3; (14)Polarizability: 17.81×10-24cm3; (15)Surface Tension: 63.5 dyne/cm; (16)Enthalpy of Vaporization: 67.23 kJ/mol; (17)Vapour Pressure: 1.01×10-6 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccc(cc1C)C(=O)O
(2)InChI: InChI=1/C9H8O4/c1-5-4-6(8(10)11)2-3-7(5)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
(3)InChIKey: UFMBOFGKHIXOTA-UHFFFAOYAP